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

Systemtic Name: 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-benzyl-3-[4-(3-methylpiperidino)sulfonylphenyl]thiourea Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-16-6-5-13-23(15-16)27(24,25)19-11-9-18(10-12-19)22-20(26)21-14-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3,(H2,21,22,26)