ethyl 4-[[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]carbamoylamino]benzoate CAS Name: 4-[[[[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]carbamoylamino]benzoic acid ethyl ester Formula: C24H26ClN5O4S MolecularWeight: 516.01234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Cl)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Cl)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C24H26ClN5O4S/c1-4-14(3)19(27-23(33)26-18-11-9-15(10-12-18)22(32)34-5-2)20(31)28-24-30-29-21(35-24)16-7-6-8-17(25)13-16/h6-14,19H,4-5H2,1-3H3,(H2,26,27,33)(H,28,30,31)