1-phenethyl-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-phenethyl-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-phenethyl-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethylurea IUPAC Name: 1-phenethyl-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-phenethyl-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H23N3O2S/c27-22(21-7-4-14-29-21)26-13-11-18-8-9-20(15-19(18)16-26)25-23(28)24-12-10-17-5-2-1-3-6-17/h1-9,14-15H,10-13,16H2,(H2,24,25,28)