N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-benzamide CAS Name: N-[[(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methylbenzamide Traditional Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methyl-benzamide Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=CC(=C3S2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=CC(=C3S2)C)C

InChI

InChI=1S/C18H17N3OS2/c1-10-4-8-13(9-5-10)16(22)20-17(23)21-18-19-14-11(2)6-7-12(3)15(14)24-18/h4-9H,1-3H3,(H2,19,20,21,22,23)