methyl 4-[[2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[2-[(1-carbamoyl-3-methyl-butyl)amino]-2-oxo-ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-[(1-carbamoyl-3-methyl-butyl)amino]-2-keto-ethyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)CNC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)CNC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C17H24N4O4S/c1-10(2)8-13(15(18)23)21-14(22)9-19-17(26)20-12-6-4-11(5-7-12)16(24)25-3/h4-7,10,13H,8-9H2,1-3H3,(H2,18,23)(H,21,22)(H2,19,20,26)