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

Systemtic Name: 3-[1-(4-butoxyphenyl)carbonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 3-[1-(4-butoxybenzoyl)-4-piperidyl]-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 3-[1-[(4-butoxyphenyl)-oxomethyl]-4-piperidinyl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 3-[1-(4-butoxybenzoyl)piperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 3-[1-(4-butoxybenzoyl)-4-piperidyl]-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea Formula: C27H34N4O3S2 MolecularWeight: 526.71386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)N(C3=CC4=C(C=C3)NC(=S)S4)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)N(C3=CC4=C(C=C3)NC(=S)S4)C(C)C

InChI

InChI=1S/C27H34N4O3S2/c1-4-5-16-34-22-9-6-19(7-10-22)25(32)30-14-12-20(13-15-30)28-26(33)31(18(2)3)21-8-11-23-24(17-21)36-27(35)29-23/h6-11,17-18,20H,4-5,12-16H2,1-3H3,(H,28,33)(H,29,35)