1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(o-tolyl)thiourea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(o-tolyl)thiourea Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23N3O2S2/c1-17-6-2-5-9-22(17)25-23(29)24-20-10-12-21(13-11-20)30(27,28)26-15-14-18-7-3-4-8-19(18)16-26/h2-13H,14-16H2,1H3,(H2,24,25,29)