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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(4-nitrophenyl)thiourea Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S2/c27-26(28)20-9-5-18(6-10-20)23-22(31)24-19-7-11-21(12-8-19)32(29,30)25-14-13-16-3-1-2-4-17(16)15-25/h1-12H,13-15H2,(H2,23,24,31)