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

Systemtic Name: 3-[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 3-[1-(4-butoxyphenyl)sulfonyl-4-piperidyl]-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 3-[1-(4-butoxyphenyl)sulfonyl-4-piperidinyl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 3-[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 3-[1-(4-butoxyphenyl)sulfonyl-4-piperidyl]-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea Formula: C26H34N4O4S3 MolecularWeight: 562.76756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C26H34N4O4S3/c1-4-5-16-34-21-7-9-22(10-8-21)37(32,33)29-14-12-19(13-15-29)27-25(31)30(18(2)3)20-6-11-23-24(17-20)36-26(35)28-23/h6-11,17-19H,4-5,12-16H2,1-3H3,(H,27,31)(H,28,35)