N-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbothioyl-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbothioyl-3,4,5-trimethoxy-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]-3,4,5-trimethoxy-benzamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O4S2/c1-28-16-12-14(13-17(29-2)19(16)30-3)20(27)24-21(31)25-8-10-26(11-9-25)22-23-15-6-4-5-7-18(15)32-22/h4-7,12-13H,8-11H2,1-3H3,(H,24,27,31)