1-[[(E)-[8-bromanyl-5-methoxy-2-methyl-4,7-bis(oxidanylidene)chromen-6-ylidene]methyl]amino]thiourea

Systemtic Name: 1-[[(E)-[8-bromanyl-5-methoxy-2-methyl-4,7-bis(oxidanylidene)chromen-6-ylidene]methyl]amino]thiourea Openeye Name: [[(E)-(8-bromo-5-methoxy-2-methyl-4,7-dioxo-chromen-6-ylidene)methyl]amino]thiourea CAS Name: [[(E)-(8-bromo-5-methoxy-2-methyl-4,7-dioxo-1-benzopyran-6-ylidene)methyl]amino]thiourea IUPAC Name: [[(E)-(8-bromo-5-methoxy-2-methyl-4,7-dioxochromen-6-ylidene)methyl]amino]thiourea Traditional Name: [[(E)-(8-bromo-4,7-diketo-5-methoxy-2-methyl-chromen-6-ylidene)methyl]amino]thiourea Formula: C13H12BrN3O4S MolecularWeight: 386.22108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(C(=CNNC(=S)N)C(=O)C(=C2O1)Br)OC

Isomeric SMILES

CC1=CC(=O)C2=C(/C(=C\NNC(=S)N)/C(=O)C(=C2O1)Br)OC

InChI

InChI=1S/C13H12BrN3O4S/c1-5-3-7(18)8-11(20-2)6(4-16-17-13(15)22)10(19)9(14)12(8)21-5/h3-4,16H,1-2H3,(H3,15,17,22)/b6-4-