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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-prop-2-enylurea IUPAC Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C20H23N3O3S MolecularWeight: 385.47992

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-3-11-21-20(24)22-18-7-6-16-10-12-23(14-17(16)13-18)27(25,26)19-8-4-15(2)5-9-19/h3-9,13H,1,10-12,14H2,2H3,(H2,21,22,24)