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

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

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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)OC)Br

Isomeric SMILES

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

InChI

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