tert-butyl N-[(2S)-1-[(4-iodophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(4-iodophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-iodophenyl)carbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-(4-iodoanilino)-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(4-iodoanilino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(4-iodophenyl)carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C16H23IN2O3S MolecularWeight: 450.33489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NC1=CC=C(C=C1)I

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NC1=CC=C(C=C1)I

InChI

InChI=1S/C16H23IN2O3S/c1-16(2,3)22-15(21)19-13(9-10-23-4)14(20)18-12-7-5-11(17)6-8-12/h5-8,13H,9-10H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1