N-[[4-[(3-bromanyl-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]ethanamide

Systemtic Name: N-[[4-[(3-bromanyl-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-[(3-bromo-5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide CAS Name: N-[[4-[(3-bromo-5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-[(3-bromo-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide Traditional Name: N-[[4-[(3-bromo-5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]acetamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=S)NC(=O)C)C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=S)NC(=O)C)C1=O)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-3-25-16-9-13(19)8-12(17(16)24)10-20-14-4-6-15(7-5-14)22-18(26)21-11(2)23/h4-10,20H,3H2,1-2H3,(H2,21,22,23,26)