propyl 4-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(3-amino-3-oxopropyl)-benzylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]amino]-4-keto-butyric acid propyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

InChI

InChI=1S/C18H25N3O4S/c1-2-12-25-17(24)9-8-16(23)20-18(26)21(11-10-15(19)22)13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,19,22)(H,20,23,26)