1-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(thiophen-2-ylmethyl)urea

Systemtic Name: 1-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-thienylmethyl)urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2-thenyl)urea Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NCC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NCC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c25-21(22-14-19-5-4-12-28-19)23-18-9-8-16-10-11-24(15-17(16)13-18)29(26,27)20-6-2-1-3-7-20/h1-9,12-13H,10-11,14-15H2,(H2,22,23,25)