1-(3,4-dimethoxyphenyl)-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[4-(2-methylpiperidino)sulfonylphenyl]thiourea Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O4S2/c1-15-6-4-5-13-24(15)30(25,26)18-10-7-16(8-11-18)22-21(29)23-17-9-12-19(27-2)20(14-17)28-3/h7-12,14-15H,4-6,13H2,1-3H3,(H2,22,23,29)