4-bromanyl-N-[2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]phenyl]butanamide

Systemtic Name: 4-bromanyl-N-[2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]phenyl]butanamide Openeye Name: 4-bromo-N-[2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]butanamide CAS Name: 4-bromo-N-[2-[3-chloro-4-[(2-methylphenyl)-sulfanylidenemethyl]anilino]phenyl]butanamide IUPAC Name: 4-bromo-N-[2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]butanamide Traditional Name: 4-bromo-N-[2-[3-chloro-4-(2-methylthiobenzoyl)anilino]phenyl]butyramide Formula: C24H22BrClN2OS MolecularWeight: 501.86628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=CC=CC=C3NC(=O)CCCBr)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=CC=CC=C3NC(=O)CCCBr)Cl

InChI

InChI=1S/C24H22BrClN2OS/c1-16-7-2-3-8-18(16)24(30)19-13-12-17(15-20(19)26)27-21-9-4-5-10-22(21)28-23(29)11-6-14-25/h2-5,7-10,12-13,15,27H,6,11,14H2,1H3,(H,28,29)