tert-butyl 2-[[3-(cyclohexylmethylsulfanyl)-1-[(4-dimethylaminophenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl 2-[[3-(cyclohexylmethylsulfanyl)-1-[(4-dimethylaminophenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl 2-[[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]carbamoyl]thiazolidine-3-carboxylate CAS Name: 2-[[[3-(cyclohexylmethylthio)-1-[(4-dimethylaminophenyl)methylamino]-1-oxopropan-2-yl]amino]-oxomethyl]-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(cyclohexylmethylsulfanyl)-1-[(4-dimethylaminophenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate Traditional Name: 2-[[1-[(cyclohexylmethylthio)methyl]-2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]carbamoyl]thiazolidine-3-carboxylic acid tert-butyl ester Formula: C28H44N4O4S2 MolecularWeight: 564.80336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSC1C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSC1C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C28H44N4O4S2/c1-28(2,3)36-27(35)32-15-16-38-26(32)25(34)30-23(19-37-18-21-9-7-6-8-10-21)24(33)29-17-20-11-13-22(14-12-20)31(4)5/h11-14,21,23,26H,6-10,15-19H2,1-5H3,(H,29,33)(H,30,34)