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

Systemtic Name: 1-[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea Openeye Name: [3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]thiourea CAS Name: [3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]thiourea IUPAC Name: [3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]thiourea Traditional Name: [3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiourea Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-8-5-12-14(6-9(8)2)21-15(19-12)11-7-10(18-16(17)22)3-4-13(11)20/h3-7,19H,1-2H3,(H3,17,18,22)