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

Systemtic Name: 1-(phenylmethyl)-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-benzyl-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-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-benzyl-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S/c26-21(20-7-4-12-28-20)25-11-10-17-8-9-19(13-18(17)15-25)24-22(27)23-14-16-5-2-1-3-6-16/h1-9,12-13H,10-11,14-15H2,(H2,23,24,27)