2-[3-(1H-indol-3-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(1H-indol-3-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(1H-indol-3-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(1H-indol-3-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(1H-indol-3-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O2S/c1-12-6-8-15-17(10-12)27-21(19(15)20(22)26)24-18(25)9-7-13-11-23-16-5-3-2-4-14(13)16/h2-5,11-12,23H,6-10H2,1H3,(H2,22,26)(H,24,25)