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

Systemtic Name: N-[[4-[[5-bromanyl-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[(3-benzyl-5-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[[5-bromo-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[(3-benzyl-5-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[(3-benzyl-5-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]propionamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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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)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)Br)CC3=CC=CC=C3

InChI

InChI=1S/C24H22BrN3O2S/c1-2-22(29)28-24(31)27-20-10-8-19(9-11-20)26-15-18-13-17(14-21(25)23(18)30)12-16-6-4-3-5-7-16/h3-11,13-15,26H,2,12H2,1H3,(H2,27,28,29,31)