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

Systemtic Name: 1,1-di(butan-2-yl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-disec-butyl-thiourea CAS Name: 1,1-di(butan-2-yl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea IUPAC Name: 1,1-di(butan-2-yl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-disec-butyl-thiourea Formula: C24H33N3O2S2 MolecularWeight: 459.66772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(C)N(C(C)CC)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C24H33N3O2S2/c1-5-18(3)27(19(4)6-2)24(30)25-22-11-13-23(14-12-22)31(28,29)26-16-15-20-9-7-8-10-21(20)17-26/h7-14,18-19H,5-6,15-17H2,1-4H3,(H,25,30)