N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide

Systemtic Name: N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide Openeye Name: N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide CAS Name: N-[[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide Traditional Name: N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]acetamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N/C(=C\3/C=CC(=CC3=O)NC(=S)NC(=O)C)/O2)C

InChI

InChI=1S/C18H17N3O3S/c1-9-6-10(2)16-14(7-9)21-17(24-16)13-5-4-12(8-15(13)23)20-18(25)19-11(3)22/h4-8,21H,1-3H3,(H2,19,20,22,25)/b17-13+