N-[1-[[3-(1,3-benzothiazol-2-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-benzamide

Systemtic Name: N-[1-[[3-(1,3-benzothiazol-2-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-benzamide Openeye Name: N-[1-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]-2-chloro-benzamide CAS Name: N-[1-[3-(1,3-benzothiazol-2-yl)anilino]-4-(methylthio)-1-oxobutan-2-yl]-2-chlorobenzamide IUPAC Name: N-[1-[3-(1,3-benzothiazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide Traditional Name: N-[1-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-3-(methylthio)propyl]-2-chloro-benzamide Formula: C25H22ClN3O2S2 MolecularWeight: 496.04408

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H22ClN3O2S2/c1-32-14-13-21(28-23(30)18-9-2-3-10-19(18)26)24(31)27-17-8-6-7-16(15-17)25-29-20-11-4-5-12-22(20)33-25/h2-12,15,21H,13-14H2,1H3,(H,27,31)(H,28,30)