3-phenylpropyl 5-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O5S/c1-2-37-24-19-17-23(18-20-24)31-29(36)25-13-6-7-14-26(25)32-30(39)33-27(34)15-8-16-28(35)38-21-9-12-22-10-4-3-5-11-22/h3-7,10-11,13-14,17-20H,2,8-9,12,15-16,21H2,1H3,(H,31,36)(H2,32,33,34,39)