N-benzo[e][1,3]benzothiazol-2-yl-3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(3,6-diketo-1H-pyridazin-2-yl)propionamide Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CCN4C(=O)C=CC(=O)N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CCN4C(=O)C=CC(=O)N4

InChI

InChI=1S/C18H14N4O3S/c23-14(9-10-22-16(25)8-7-15(24)21-22)19-18-20-17-12-4-2-1-3-11(12)5-6-13(17)26-18/h1-8H,9-10H2,(H,21,24)(H,19,20,23)