N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: N-[(4-bromo-3-methyl-phenyl)carbamothioyl]-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: N-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: N-[(4-bromo-3-methylphenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: N-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C21H22BrN3O4S2 MolecularWeight: 524.45108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C21H22BrN3O4S2/c1-15-14-17(5-8-19(15)22)23-21(30)24-20(26)9-4-16-2-6-18(7-3-16)31(27,28)25-10-12-29-13-11-25/h2-9,14H,10-13H2,1H3,(H2,23,24,26,30)