N-pentyl-4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxamide

Systemtic Name: N-pentyl-4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxamide Openeye Name: 4-[[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]-N-pentyl-piperidine-1-carboxamide CAS Name: 4-[[oxo-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methyl]amino]-N-pentyl-1-piperidinecarboxamide IUPAC Name: N-pentyl-4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxamide Traditional Name: N-amyl-4-[[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxamide Formula: C22H33N5O2S2 MolecularWeight: 463.65972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O2S2/c1-4-5-6-11-23-20(28)26-12-9-16(10-13-26)24-21(29)27(15(2)3)17-7-8-18-19(14-17)31-22(30)25-18/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)