N-(2-dimethylaminoethyl)-6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-6-methoxy-3-(p-tolylsulfanyl)-1H-indole-2-carboxamide CAS Name: N-(2-dimethylaminoethyl)-6-methoxy-3-[(4-methylphenyl)thio]-1H-indole-2-carboxamide IUPAC Name: N-(2-dimethylaminoethyl)-6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-6-methoxy-3-(p-tolylthio)-1H-indole-2-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)NCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)NCCN(C)C

InChI

InChI=1S/C21H25N3O2S/c1-14-5-8-16(9-6-14)27-20-17-10-7-15(26-4)13-18(17)23-19(20)21(25)22-11-12-24(2)3/h5-10,13,23H,11-12H2,1-4H3,(H,22,25)