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

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]acetamide Formula: C23H26N4OS2 MolecularWeight: 438.60874

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N4OS2/c1-27(18-12-6-3-7-13-18)23(24-17-10-4-2-5-11-17)29-16-21(28)26-22-25-19-14-8-9-15-20(19)30-22/h2,4-5,8-11,14-15,18H,3,6-7,12-13,16H2,1H3,(H,25,26,28)