3-phenylpropyl 5-oxidanylidene-5-[(4-phenylazanylphenyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-phenylazanylphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[(4-anilinophenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(4-anilinoanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-anilinophenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(4-anilinophenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c31-25(14-7-15-26(32)33-20-8-11-21-9-3-1-4-10-21)30-27(34)29-24-18-16-23(17-19-24)28-22-12-5-2-6-13-22/h1-6,9-10,12-13,16-19,28H,7-8,11,14-15,20H2,(H2,29,30,31,34)