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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-thienylmethyl)urea CAS Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(2-thenyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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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)NCC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H23N3O3S2/c1-16-4-8-21(9-5-16)30(27,28)25-11-10-17-6-7-19(13-18(17)15-25)24-22(26)23-14-20-3-2-12-29-20/h2-9,12-13H,10-11,14-15H2,1H3,(H2,23,24,26)