N-[2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide

Systemtic Name: N-[2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide Openeye Name: N-[2-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide CAS Name: N-[2-[3-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-indolyl]ethyl]-2-naphthalenecarboxamide IUPAC Name: N-[2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide Traditional Name: N-[2-[3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]indol-1-yl]ethyl]-2-naphthamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H31N3O2S/c33-28(31-16-7-1-2-8-17-31)21-35-27-20-32(26-12-6-5-11-25(26)27)18-15-30-29(34)24-14-13-22-9-3-4-10-23(22)19-24/h3-6,9-14,19-20H,1-2,7-8,15-18,21H2,(H,30,34)