2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,4-dioxobutyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butanoyl]amino]thiophene-3-carboxamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H19N3O3S/c19-17(24)14-8-10-25-18(14)20-15(22)5-6-16(23)21-9-7-12-3-1-2-4-13(12)11-21/h1-4,8,10H,5-7,9,11H2,(H2,19,24)(H,20,22)