3-phenylpropyl 4-(2,3-dihydroindol-1-ylcarbothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(2,3-dihydroindol-1-ylcarbothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(indoline-1-carbothioylamino)-4-oxo-butanoate CAS Name: 4-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(2,3-dihydroindole-1-carbothioylamino)-4-oxobutanoate Traditional Name: 4-(indoline-1-carbothioylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c25-20(23-22(28)24-15-14-18-10-4-5-11-19(18)24)12-13-21(26)27-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2,(H,23,25,28)