5-(1,4-diazepan-1-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-(1,4-diazepan-1-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-(1,4-diazepan-1-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-(1,4-diazepan-1-ylmethyl)-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-(1,4-diazepan-1-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-(1,4-diazepan-1-ylmethyl)-3-(phenylthio)-1H-indole-2-carboxamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CNCCN(C1)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H24N4OS/c22-21(26)19-20(27-16-5-2-1-3-6-16)17-13-15(7-8-18(17)24-19)14-25-11-4-9-23-10-12-25/h1-3,5-8,13,23-24H,4,9-12,14H2,(H2,22,26)