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

Systemtic Name: 1,3-bis[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1,3-bis[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1,3-bis[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1,3-bis[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1,3-bis[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C17H16Br2N4O4S MolecularWeight: 532.20634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NNC=C2C=C(C(=O)C(=C2)Br)OC)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNNC(=S)NNC=C2C=C(C(=O)C(=C2)Br)OC)C=C(C1=O)Br

InChI

InChI=1S/C17H16Br2N4O4S/c1-26-13-5-9(3-11(18)15(13)24)7-20-22-17(28)23-21-8-10-4-12(19)16(25)14(6-10)27-2/h3-8,20-21H,1-2H3,(H2,22,23,28)