3-phenylpropyl 5-(2,3-dihydroindol-1-ylcarbothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-(2,3-dihydroindol-1-ylcarbothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(indoline-1-carbothioylamino)-5-oxo-pentanoate CAS Name: 5-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(2,3-dihydroindole-1-carbothioylamino)-5-oxopentanoate Traditional Name: 5-(indoline-1-carbothioylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O3S/c26-21(24-23(29)25-16-15-19-11-4-5-12-20(19)25)13-6-14-22(27)28-17-7-10-18-8-2-1-3-9-18/h1-5,8-9,11-12H,6-7,10,13-17H2,(H,24,26,29)