N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-3-nitro-4-piperidino-benzamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3S2/c26-18(22-19(29)23-20-21-14-6-2-3-7-17(14)30-20)13-8-9-15(16(12-13)25(27)28)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H2,21,22,23,26,29)