1-propan-2-yl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea

Systemtic Name: 1-propan-2-yl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 1-isopropyl-3-[1-(4-propylphenyl)sulfonyl-4-piperidyl]-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 1-propan-2-yl-3-[1-(4-propylphenyl)sulfonyl-4-piperidinyl]-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 1-propan-2-yl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 1-isopropyl-3-[1-(4-propylphenyl)sulfonyl-4-piperidyl]-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea Formula: C25H32N4O3S3 MolecularWeight: 532.74158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)N(C3=CC4=C(C=C3)NC(=S)S4)C(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)N(C3=CC4=C(C=C3)NC(=S)S4)C(C)C

InChI

InChI=1S/C25H32N4O3S3/c1-4-5-18-6-9-21(10-7-18)35(31,32)28-14-12-19(13-15-28)26-24(30)29(17(2)3)20-8-11-22-23(16-20)34-25(33)27-22/h6-11,16-17,19H,4-5,12-15H2,1-3H3,(H,26,30)(H,27,33)