1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(3,4,5-trimethoxyphenyl)thiourea

Systemtic Name: 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(3,4,5-trimethoxyphenyl)thiourea Openeye Name: 1-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea CAS Name: 1-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea IUPAC Name: 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(3,4,5-trimethoxyphenyl)thiourea Traditional Name: 1-[4-(3-methylpiperidino)sulfonylphenyl]-3-(3,4,5-trimethoxyphenyl)thiourea Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S2/c1-15-6-5-11-25(14-15)32(26,27)18-9-7-16(8-10-18)23-22(31)24-17-12-19(28-2)21(30-4)20(13-17)29-3/h7-10,12-13,15H,5-6,11,14H2,1-4H3,(H2,23,24,31)