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

Systemtic Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C23H17N5O7S MolecularWeight: 507.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])N2

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])N2

InChI

InChI=1S/C23H17N5O7S/c1-11-5-18-20(6-12(11)2)35-22(25-18)17-9-14(3-4-19(17)29)24-23(36)26-21(30)13-7-15(27(31)32)10-16(8-13)28(33)34/h3-10,25H,1-2H3,(H2,24,26,30,36)