N-[[2-[(phenylmethyl)-piperidin-4-yl-amino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide

Systemtic Name: N-[[2-[(phenylmethyl)-piperidin-4-yl-amino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: N-[[2-[benzyl(4-piperidyl)amino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: N-[[[2-[(phenylmethyl)-(4-piperidinyl)amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-[benzyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: N-[[2-[benzyl(4-piperidyl)amino]-1,3-benzothiazol-6-yl]thiocarbamoyl]benzamide Formula: C27H27N5OS2 MolecularWeight: 501.66618

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)NC(=S)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CNCCC1N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)NC(=S)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5OS2/c33-25(20-9-5-2-6-10-20)31-26(34)29-21-11-12-23-24(17-21)35-27(30-23)32(22-13-15-28-16-14-22)18-19-7-3-1-4-8-19/h1-12,17,22,28H,13-16,18H2,(H2,29,31,33,34)