2-[2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(2-methoxy-5-methyl-benzyl)-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN(C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN(C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H27N3O3S/c1-13-8-9-16(27-3)14(10-13)11-24(2)12-18(25)23-21-19(20(22)26)15-6-4-5-7-17(15)28-21/h8-10H,4-7,11-12H2,1-3H3,(H2,22,26)(H,23,25)