3-(4-chlorophenyl)sulfanyl-N-[3-[ethyl-(phenylmethyl)amino]propyl]-1H-indole-2-carboxamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-[3-[ethyl-(phenylmethyl)amino]propyl]-1H-indole-2-carboxamide Openeye Name: N-[3-[benzyl(ethyl)amino]propyl]-3-(4-chlorophenyl)sulfanyl-1H-indole-2-carboxamide CAS Name: 3-[(4-chlorophenyl)thio]-N-[3-[ethyl-(phenylmethyl)amino]propyl]-1H-indole-2-carboxamide IUPAC Name: N-[3-[benzyl(ethyl)amino]propyl]-3-(4-chlorophenyl)sulfanyl-1H-indole-2-carboxamide Traditional Name: N-[3-[benzyl(ethyl)amino]propyl]-3-[(4-chlorophenyl)thio]-1H-indole-2-carboxamide Formula: C27H28ClN3OS MolecularWeight: 478.04872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCN(CCCNC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3OS/c1-2-31(19-20-9-4-3-5-10-20)18-8-17-29-27(32)25-26(23-11-6-7-12-24(23)30-25)33-22-15-13-21(28)14-16-22/h3-7,9-16,30H,2,8,17-19H2,1H3,(H,29,32)