1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-[4-(3-methylpiperidino)sulfonylphenyl]-3-veratryl-thiourea Formula: C22H29N3O4S2 MolecularWeight: 463.61336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O4S2/c1-16-5-4-12-25(15-16)31(26,27)19-9-7-18(8-10-19)24-22(30)23-14-17-6-11-20(28-2)21(13-17)29-3/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H2,23,24,30)