[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]-N-piazthiol-4-yl-acetamide Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C22H25N5OS2/c1-27(17-11-6-3-7-12-17)22(23-16-9-4-2-5-10-16)29-15-20(28)24-18-13-8-14-19-21(18)26-30-25-19/h2,4-5,8-10,13-14,17H,3,6-7,11-12,15H2,1H3,(H,24,28)