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

Systemtic Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-[1-(4-sec-butylphenyl)propyl]thiourea CAS Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea IUPAC Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-[1-(4-sec-butylphenyl)propyl]thiourea Formula: C29H35N3O2S2 MolecularWeight: 521.7371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O2S2/c1-4-21(3)22-10-12-24(13-11-22)28(5-2)31-29(35)30-26-14-16-27(17-15-26)36(33,34)32-19-18-23-8-6-7-9-25(23)20-32/h6-17,21,28H,4-5,18-20H2,1-3H3,(H2,30,31,35)