2-[2-[(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[2-[(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[2-[(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H15BrN4O3S2 MolecularWeight: 479.3707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

InChI

InChI=1S/C18H15BrN4O3S2/c1-3-6-23-13-5-4-12(19)8-14(13)28-18(23)21-17(25)10-27-9-16(24)20-15-7-11(2)26-22-15/h1,4-5,7-8H,6,9-10H2,2H3,(H,20,22,24)