N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3

InChI

InChI=1S/C24H20BrN3O3S/c1-13(2)14-3-5-15(6-4-14)22(30)28-24(32)26-17-8-10-21-19(12-17)27-23(31-21)16-7-9-20(29)18(25)11-16/h3-13,27H,1-2H3,(H2,26,28,30,32)