1-[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea

Systemtic Name: 1-[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea Openeye Name: [3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]thiourea CAS Name: [3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]thiourea IUPAC Name: [3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]thiourea Traditional Name: [3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiourea Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)N)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)N)N2

InChI

InChI=1S/C17H17N3O2S/c1-3-10-4-5-14-13(7-10)20-16(22-14)12-8-11(19-17(18)23)6-9(2)15(12)21/h4-8,20H,3H2,1-2H3,(H3,18,19,23)