N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C27H27N3O2S2/c1-3-4-7-16-32-23-9-6-5-8-21(23)25(31)30-27(33)28-20-13-11-19(12-14-20)26-29-22-15-10-18(2)17-24(22)34-26/h5-6,8-15,17H,3-4,7,16H2,1-2H3,(H2,28,30,31,33)