N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-3-methyl-benzamide Formula: C18H14ClN3O2S2 MolecularWeight: 403.90566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H14ClN3O2S2/c1-10-5-4-6-11(9-10)16(23)20-18(25)22-21-17(24)15-14(19)12-7-2-3-8-13(12)26-15/h2-9H,1H3,(H,21,24)(H2,20,22,23,25)