5-[[(4-butylphenyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-[[(4-butylphenyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[(4-butylanilino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[(4-butylanilino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[(4-butylanilino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[(4-butylanilino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NCC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NCC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H27N3OS/c1-2-3-7-18-10-13-20(14-11-18)28-17-19-12-15-23-22(16-19)25(24(29-23)26(27)30)31-21-8-5-4-6-9-21/h4-6,8-16,28-29H,2-3,7,17H2,1H3,(H2,27,30)