3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-phenyl-1-(phenylmethyl)thiourea

Systemtic Name: 3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-phenyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-1-phenyl-thiourea CAS Name: 3-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-phenyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylthiourea Traditional Name: 1-benzyl-3-[4-(3-methylpiperidino)sulfonylphenyl]-1-phenyl-thiourea Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S2/c1-21-9-8-18-28(19-21)33(30,31)25-16-14-23(15-17-25)27-26(32)29(24-12-6-3-7-13-24)20-22-10-4-2-5-11-22/h2-7,10-17,21H,8-9,18-20H2,1H3,(H,27,32)