2-[4-(3-chloranyl-4-methoxy-phenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-(3-chloranyl-4-methoxy-phenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-(3-chloro-4-methoxy-phenyl)-3-oxo-pyrazin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-3-oxo-2-pyrazinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-3-keto-pyrazin-2-yl]thio]-N-isoamyl-acetamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC=CN(C1=O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC=CN(C1=O)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-12(2)6-7-20-16(23)11-26-17-18(24)22(9-8-21-17)13-4-5-15(25-3)14(19)10-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,20,23)