3-(acetamidomethyl)-2-(phenylmethyl)-N-propan-2-yl-N-prop-2-ynyl-1-benzothiophene-5-carboxamide

Systemtic Name: 3-(acetamidomethyl)-2-(phenylmethyl)-N-propan-2-yl-N-prop-2-ynyl-1-benzothiophene-5-carboxamide Openeye Name: 3-(acetamidomethyl)-2-benzyl-N-isopropyl-N-prop-2-ynyl-benzothiophene-5-carboxamide CAS Name: 3-(acetamidomethyl)-2-(phenylmethyl)-N-propan-2-yl-N-prop-2-ynyl-1-benzothiophene-5-carboxamide IUPAC Name: 3-(acetamidomethyl)-2-benzyl-N-propan-2-yl-N-prop-2-ynyl-1-benzothiophene-5-carboxamide Traditional Name: 3-(acetamidomethyl)-2-benzyl-N-isopropyl-N-propargyl-benzothiophene-5-carboxamide Formula: C25H26N2O2S MolecularWeight: 418.55114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC#C)C(=O)C1=CC2=C(C=C1)SC(=C2CNC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC#C)C(=O)C1=CC2=C(C=C1)SC(=C2CNC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O2S/c1-5-13-27(17(2)3)25(29)20-11-12-23-21(15-20)22(16-26-18(4)28)24(30-23)14-19-9-7-6-8-10-19/h1,6-12,15,17H,13-14,16H2,2-4H3,(H,26,28)