4-bromanyl-N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide Openeye Name: 4-bromo-N-[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]benzamide CAS Name: 4-bromo-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]benzamide IUPAC Name: 4-bromo-N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide Traditional Name: 4-bromo-N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]benzamide Formula: C21H18BrN3O2S2 MolecularWeight: 488.42052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC(=C(S2)NC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)CSC2=NC(=C(S2)NC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H18BrN3O2S2/c22-15-8-6-14(7-9-15)19(27)25-20-18(13-4-2-1-3-5-13)24-21(29-20)28-12-17(26)23-16-10-11-16/h1-9,16H,10-12H2,(H,23,26)(H,25,27)