N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-methyl-butanamide

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-methyl-butanamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-methyl-butanamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-methylbutanamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-methylbutanamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-methyl-butyramide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C2NC3=CC=CC=C3S2)C(=O)C=C1

Isomeric SMILES

CC(C)CC(=O)NC1=C/C(=C\2/NC3=CC=CC=C3S2)/C(=O)C=C1

InChI

InChI=1S/C18H18N2O2S/c1-11(2)9-17(22)19-12-7-8-15(21)13(10-12)18-20-14-5-3-4-6-16(14)23-18/h3-8,10-11,20H,9H2,1-2H3,(H,19,22)/b18-13+