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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-thiophen-2-yl-urea Openeye Name: 1-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-thienyl)urea CAS Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-thiophen-2-ylurea IUPAC Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-thiophen-2-ylurea Traditional Name: 1-(2-thienyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NC4=CC=CS4

InChI

InChI=1S/C21H21N3O3S2/c1-15-4-8-19(9-5-15)29(26,27)24-11-10-16-6-7-18(13-17(16)14-24)22-21(25)23-20-3-2-12-28-20/h2-9,12-13H,10-11,14H2,1H3,(H2,22,23,25)