N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S2/c1-11-9-12(7-8-15(11)23(25)26)17(24)21-19(27)22-18-14(10-20)13-5-3-2-4-6-16(13)28-18/h7-9H,2-6H2,1H3,(H2,21,22,24,27)