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

Systemtic Name: 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-phenethyl-thiourea Openeye Name: 1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-3-phenethyl-thiourea CAS Name: 1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-3-phenethylthiourea IUPAC Name: 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-phenethylthiourea Traditional Name: 1-[4-(4-methylpiperidino)sulfonylphenyl]-3-phenethyl-thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-17-12-15-24(16-13-17)28(25,26)20-9-7-19(8-10-20)23-21(27)22-14-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H2,22,23,27)