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

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C21H18N6O4S2 MolecularWeight: 482.53542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C21H18N6O4S2/c1-31-12-8-6-11(7-9-12)18(29)25-16-17(22)26-20(27-19(16)30)32-10-15(28)24-21-23-13-4-2-3-5-14(13)33-21/h2-9H,10H2,1H3,(H,25,29)(H,23,24,28)(H3,22,26,27,30)