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

Systemtic Name: 2-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[benzyl(isopropyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[benzyl(isopropyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-14(2)24(12-15-8-4-3-5-9-15)13-18(25)23-21-19(20(22)26)16-10-6-7-11-17(16)27-21/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,22,26)(H,23,25)