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

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 1,1-dibenzyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Formula: C30H29N3O2S2 MolecularWeight: 527.70016

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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)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O2S2/c34-37(35,33-20-19-26-13-7-8-14-27(26)23-33)29-17-15-28(16-18-29)31-30(36)32(21-24-9-3-1-4-10-24)22-25-11-5-2-6-12-25/h1-18H,19-23H2,(H,31,36)