1-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-3-(2-thiophen-3-ylethyl)urea

Systemtic Name: 1-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-3-(2-thiophen-3-ylethyl)urea Openeye Name: 1-(2-methyl-1-oxo-4-isoquinolyl)-3-[2-(3-thienyl)ethyl]urea CAS Name: 1-(2-methyl-1-oxo-4-isoquinolinyl)-3-[2-(3-thiophenyl)ethyl]urea IUPAC Name: 1-(2-methyl-1-oxoisoquinolin-4-yl)-3-(2-thiophen-3-ylethyl)urea Traditional Name: 1-(1-keto-2-methyl-4-isoquinolyl)-3-[2-(3-thienyl)ethyl]urea Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCCC3=CSC=C3

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCCC3=CSC=C3

InChI

InChI=1S/C17H17N3O2S/c1-20-10-15(13-4-2-3-5-14(13)16(20)21)19-17(22)18-8-6-12-7-9-23-11-12/h2-5,7,9-11H,6,8H2,1H3,(H2,18,19,22)