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

Systemtic Name: propyl 4-oxidanylidene-4-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioylamino]butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5S/c1-2-12-28-18(27)11-10-16(25)21-19(29)23-22-17(26)9-8-15(24)20-13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,20,24)(H,22,26)(H2,21,23,25,29)