N-[6-azanyl-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C20H16N6O3S2 MolecularWeight: 452.50944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C20H16N6O3S2/c21-16-15(24-17(28)11-6-2-1-3-7-11)18(29)26-19(25-16)30-10-14(27)23-20-22-12-8-4-5-9-13(12)31-20/h1-9H,10H2,(H,24,28)(H,22,23,27)(H3,21,25,26,29)