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

Systemtic Name: 2-[2-[(phenylmethyl)-propanoyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[benzyl(propanoyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[1-oxopropyl-(phenylmethyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[benzyl(propanoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[benzyl(propionyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-2-18(26)24(12-14-8-4-3-5-9-14)13-17(25)23-21-19(20(22)27)15-10-6-7-11-16(15)28-21/h3-5,8-9H,2,6-7,10-13H2,1H3,(H2,22,27)(H,23,25)