2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C22H28N4O2S2 MolecularWeight: 444.61332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=NN=C(S3)C4CC4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=NN=C(S3)C4CC4

InChI

InChI=1S/C22H28N4O2S2/c27-19(23-16-8-4-2-1-3-5-9-16)14-29-18-11-7-6-10-17(18)20(28)24-22-26-25-21(30-22)15-12-13-15/h6-7,10-11,15-16H,1-5,8-9,12-14H2,(H,23,27)(H,24,26,28)