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

Systemtic Name: (6S)-2-[4-(1H-indol-3-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[4-(1H-indol-3-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[4-(1H-indol-3-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[4-(1H-indol-3-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O2S/c1-13-9-10-16-18(11-13)28-22(20(16)21(23)27)25-19(26)8-4-5-14-12-24-17-7-3-2-6-15(14)17/h2-3,6-7,12-13,24H,4-5,8-11H2,1H3,(H2,23,27)(H,25,26)/t13-/m0/s1