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

Systemtic Name: 1-(diphenylmethyl)-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-benzhydryl-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(diphenylmethyl)-3-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-benzhydryl-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-benzhydryl-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H25N3O2S/c32-27(25-12-7-17-34-25)31-16-15-20-13-14-24(18-23(20)19-31)29-28(33)30-26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-14,17-18,26H,15-16,19H2,(H2,29,30,33)