3-chloranyl-N-[3-[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 3-chloranyl-N-[3-[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[3-[1-[(4-methylthiazol-2-yl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 3-chloro-N-[3-[[1-[(4-methyl-2-thiazolyl)amino]-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[3-[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[3-[1-[(4-methylthiazol-2-yl)carbamoyl]propylthio]phenyl]benzamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c1-3-18(20(27)25-21-23-13(2)12-28-21)29-17-9-5-8-16(11-17)24-19(26)14-6-4-7-15(22)10-14/h4-12,18H,3H2,1-2H3,(H,24,26)(H,23,25,27)