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

Systemtic Name: 1-[4-[[2,3-bis(bromanyl)-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]thiourea Openeye Name: [4-[(2,3-dibromo-5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea CAS Name: [4-[(2,3-dibromo-5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]thiourea IUPAC Name: [4-[(2,3-dibromo-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Traditional Name: [4-[(2,3-dibromo-5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Formula: C16H15Br2N3O2S MolecularWeight: 473.1822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Br2N3O2S/c1-2-23-13-7-12(17)14(18)11(15(13)22)8-20-9-3-5-10(6-4-9)21-16(19)24/h3-8,20H,2H2,1H3,(H3,19,21,24)