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

Systemtic Name: N-[[4-[(5-bromanyl-3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[(5-bromo-3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[(5-bromo-3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[(5-bromo-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[(5-bromo-6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]propionamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)Br)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)Br)C

InChI

InChI=1S/C18H18BrN3O2S/c1-3-16(23)22-18(25)21-14-6-4-13(5-7-14)20-10-12-8-11(2)9-15(19)17(12)24/h4-10,20H,3H2,1-2H3,(H2,21,22,23,25)