methyl 4-oxidanylidene-4-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C17H22N4O5S/c1-26-16(25)10-9-14(23)19-17(27)21-20-15(24)8-7-13(22)18-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,18,22)(H,20,24)(H2,19,21,23,27)