N-(2-chloranyl-5-methyl-phenyl)-2-methanoyl-N-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-butanamide

Systemtic Name: N-(2-chloranyl-5-methyl-phenyl)-2-methanoyl-N-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-butanamide Openeye Name: N-(2-chloro-5-methyl-phenyl)-2-formyl-N-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl-butanamide CAS Name: N-(2-chloro-5-methylphenyl)-2-formyl-N-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]butanamide IUPAC Name: N-(2-chloro-5-methylphenyl)-2-formyl-N-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanylbutanamide Traditional Name: N-(2-chloro-5-methyl-phenyl)-2-formyl-N-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]butyramide Formula: C23H33ClN2O3S MolecularWeight: 453.03772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSN(C1=C(C=CC(=C1)C)Cl)C(=O)C(CC)C=O

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SN(C1=C(C=CC(=C1)C)Cl)C(=O)C(CC)C=O

InChI

InChI=1S/C23H33ClN2O3S/c1-4-6-7-8-9-10-14-25-22(28)13-15-30-26(23(29)19(5-2)17-27)21-16-18(3)11-12-20(21)24/h11-13,15-17,19H,4-10,14H2,1-3H3,(H,25,28)/b15-13+