3-chloranyl-N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 3-chloranyl-N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[3-[1-[(5-methylisoxazol-3-yl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 3-chloro-N-[3-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[3-[1-[(5-methylisoxazol-3-yl)carbamoyl]propylthio]phenyl]benzamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-3-18(21(27)24-19-10-13(2)28-25-19)29-17-9-5-8-16(12-17)23-20(26)14-6-4-7-15(22)11-14/h4-12,18H,3H2,1-2H3,(H,23,26)(H,24,25,27)