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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 1-benzyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S2/c27-30(28,26-15-14-19-8-4-5-9-20(19)17-26)22-12-10-21(11-13-22)25-23(29)24-16-18-6-2-1-3-7-18/h1-13H,14-17H2,(H2,24,25,29)