2-chloranyl-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-iodanyl-benzamide

Systemtic Name: 2-chloranyl-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-5-iodo-benzamide Formula: C18H15ClIN3OS2 MolecularWeight: 515.81867

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C18H15ClIN3OS2/c1-9-2-4-11-13(8-21)17(26-15(11)6-9)23-18(25)22-16(24)12-7-10(20)3-5-14(12)19/h3,5,7,9H,2,4,6H2,1H3,(H2,22,23,24,25)