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

Systemtic Name: 1-(2-ethylphenyl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(2-ethylphenyl)-3-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(2-ethylphenyl)-3-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(2-ethylphenyl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2-ethylphenyl)-3-[4-(3-methylpiperidino)sulfonylphenyl]thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H27N3O2S2/c1-3-17-8-4-5-9-20(17)23-21(27)22-18-10-12-19(13-11-18)28(25,26)24-14-6-7-16(2)15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H2,22,23,27)