1-[(3E)-3-(7-bromanyl-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea

Systemtic Name: 1-[(3E)-3-(7-bromanyl-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea Openeye Name: [(3E)-3-(7-bromo-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]thiourea CAS Name: [(3E)-3-(7-bromo-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]thiourea IUPAC Name: [(3E)-3-(7-bromo-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]thiourea Traditional Name: [(3E)-3-(7-bromo-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiourea Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C)Br)OC(=C3C=C(C=CC3=O)NC(=S)N)N2

Isomeric SMILES

CC1=CC2=C(C(=C1C)Br)O/C(=C/3\C=C(C=CC3=O)NC(=S)N)/N2

InChI

InChI=1S/C16H14BrN3O2S/c1-7-5-11-14(13(17)8(7)2)22-15(20-11)10-6-9(19-16(18)23)3-4-12(10)21/h3-6,20H,1-2H3,(H3,18,19,23)/b15-10+