2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CN2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CN2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C18H21N3O2S/c1-11-12(2)24-18(16(11)17(19)23)20-15(22)10-21-8-7-13-5-3-4-6-14(13)9-21/h3-6H,7-10H2,1-2H3,(H2,19,23)(H,20,22)