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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O4S2/c1-15-5-4-12-24(14-15)30(25,26)18-9-6-16(7-10-18)22-21(29)23-17-8-11-19(27-2)20(13-17)28-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H2,22,23,29)/t15-/m0/s1