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

Systemtic Name: 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 1-isopropyl-3-[1-(4-methylpentanoyl)-4-piperidyl]-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 3-[1-(4-methyl-1-oxopentyl)-4-piperidinyl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 1-isopropyl-3-[1-(4-methylpentanoyl)-4-piperidyl]-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea Formula: C22H32N4O2S2 MolecularWeight: 448.64508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N1CCC(CC1)NC(=O)N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C

Isomeric SMILES

CC(C)CCC(=O)N1CCC(CC1)NC(=O)N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C

InChI

InChI=1S/C22H32N4O2S2/c1-14(2)5-8-20(27)25-11-9-16(10-12-25)23-21(28)26(15(3)4)17-6-7-18-19(13-17)30-22(29)24-18/h6-7,13-16H,5,8-12H2,1-4H3,(H,23,28)(H,24,29)