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

Systemtic Name: 3-phenylpropyl 4-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(3-amino-3-oxopropyl)-benzylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O4S/c25-21(28)15-16-27(18-20-10-5-2-6-11-20)24(32)26-22(29)13-14-23(30)31-17-7-12-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2,(H2,25,28)(H,26,29,32)