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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S2/c1-3-19(2)20-8-10-23(11-9-20)27-26(32)28-24-12-14-25(15-13-24)33(30,31)29-17-16-21-6-4-5-7-22(21)18-29/h4-15,19H,3,16-18H2,1-2H3,(H2,27,28,32)