2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-pyrrolidin-1-ylcarbonylphenyl)benzamide

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-pyrrolidin-1-ylcarbonylphenyl)benzamide Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C28H35N3O3S/c32-26(29-22-10-4-2-1-3-5-11-22)20-35-25-13-7-6-12-24(25)27(33)30-23-16-14-21(15-17-23)28(34)31-18-8-9-19-31/h6-7,12-17,22H,1-5,8-11,18-20H2,(H,29,32)(H,30,33)