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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(1-phenylethyl)thiourea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(1-phenylethyl)thiourea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(1-phenylethyl)thiourea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(1-phenylethyl)thiourea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(1-phenylethyl)thiourea Formula: C24H25N3O2S2 MolecularWeight: 451.6042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H25N3O2S2/c1-18(19-7-3-2-4-8-19)25-24(30)26-22-11-13-23(14-12-22)31(28,29)27-16-15-20-9-5-6-10-21(20)17-27/h2-14,18H,15-17H2,1H3,(H2,25,26,30)