1-[(3E)-3-(7-bromanyl-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-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)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea Openeye Name: [(3E)-3-(7-bromo-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]thiourea CAS Name: [(3E)-3-(7-bromo-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]thiourea IUPAC Name: [(3E)-3-(7-bromo-5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-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-5-methyl-cyclohexa-1,5-dien-1-yl]thiourea Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=C(O2)C(=C(C(=C3)C)C)Br)C1=O)NC(=S)N

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=C(O2)C(=C(C(=C3)C)C)Br)/C1=O)NC(=S)N

InChI

InChI=1S/C17H16BrN3O2S/c1-7-5-12-15(13(18)9(7)3)23-16(21-12)11-6-10(20-17(19)24)4-8(2)14(11)22/h4-6,21H,1-3H3,(H3,19,20,24)/b16-11+