S-[(6S)-6-[(4-chlorophenyl)carbonylamino]-7-(cyclopentylamino)-7-oxidanylidene-heptyl] ethanethioate

Systemtic Name: S-[(6S)-6-[(4-chlorophenyl)carbonylamino]-7-(cyclopentylamino)-7-oxidanylidene-heptyl] ethanethioate Openeye Name: S-[(6S)-6-[(4-chlorobenzoyl)amino]-7-(cyclopentylamino)-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-6-[[(4-chlorophenyl)-oxomethyl]amino]-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-[(4-chlorobenzoyl)amino]-7-(cyclopentylamino)-7-oxoheptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-[(4-chlorobenzoyl)amino]-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(C(=O)NC1CCCC1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H29ClN2O3S/c1-15(25)28-14-6-2-3-9-19(21(27)23-18-7-4-5-8-18)24-20(26)16-10-12-17(22)13-11-16/h10-13,18-19H,2-9,14H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1