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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)thiourea Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23N3O3S2/c1-29-22-9-5-4-8-21(22)25-23(30)24-19-10-12-20(13-11-19)31(27,28)26-15-14-17-6-2-3-7-18(17)16-26/h2-13H,14-16H2,1H3,(H2,24,25,30)