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

Systemtic Name: 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-benzyl-3-[4-(2-methylpiperidino)sulfonylphenyl]thiourea Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

InChI

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