2-[2-(2-methylindol-1-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(2-methylindol-1-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(2-methyl-1-indolyl)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c1-18-15-20-11-5-7-13-22(20)30(18)17-24(31)29-27-25(21-12-6-8-14-23(21)33-27)26(32)28-16-19-9-3-2-4-10-19/h2-5,7,9-11,13,15H,6,8,12,14,16-17H2,1H3,(H,28,32)(H,29,31)