N-[5-bromanyl-2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]phenyl]but-3-enamide

Systemtic Name: N-[5-bromanyl-2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]phenyl]but-3-enamide Openeye Name: N-[5-bromo-2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]but-3-enamide CAS Name: N-[5-bromo-2-[3-chloro-4-[(2-methylphenyl)-sulfanylidenemethyl]anilino]phenyl]-3-butenamide IUPAC Name: N-[5-bromo-2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]but-3-enamide Traditional Name: N-[5-bromo-2-[3-chloro-4-(2-methylthiobenzoyl)anilino]phenyl]but-3-enamide Formula: C24H20BrClN2OS MolecularWeight: 499.8504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)NC(=O)CC=C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)NC(=O)CC=C)Cl

InChI

InChI=1S/C24H20BrClN2OS/c1-3-6-23(29)28-22-13-16(25)9-12-21(22)27-17-10-11-19(20(26)14-17)24(30)18-8-5-4-7-15(18)2/h3-5,7-14,27H,1,6H2,2H3,(H,28,29)