S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxidanylidene-heptyl] ethanethioate

Systemtic Name: S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxidanylidene-heptyl] ethanethioate Openeye Name: S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxoheptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-16(24)27-15-9-3-6-14-19(21(26)22-18-12-7-8-13-18)23-20(25)17-10-4-2-5-11-17/h2,4-5,10-11,18-19H,3,6-9,12-15H2,1H3,(H,22,26)(H,23,25)/t19-/m0/s1