1-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(2-thiophen-2-ylethyl)thiourea

Systemtic Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(2-thiophen-2-ylethyl)thiourea Openeye Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-[2-(2-thienyl)ethyl]thiourea CAS Name: 1-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(2-thiophen-2-ylethyl)thiourea IUPAC Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-thiophen-2-ylethyl)thiourea Traditional Name: 1-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-3-[2-(2-thienyl)ethyl]thiourea Formula: C21H28N4O3S3 MolecularWeight: 480.66702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=S)NCCC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=S)NCCC3=CC=CS3)C

InChI

InChI=1S/C21H28N4O3S3/c1-15-5-6-19(14-16(15)2)31(27,28)25-11-8-17(9-12-25)20(26)23-24-21(29)22-10-7-18-4-3-13-30-18/h3-6,13-14,17H,7-12H2,1-2H3,(H,23,26)(H2,22,24,29)