2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C18H18N6O4S2 MolecularWeight: 446.50332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=O)C=C(N3CC=C)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=O)C=C(N3CC=C)N

InChI

InChI=1S/C18H18N6O4S2/c1-3-7-23-14(19)9-15(25)21-18(23)30-12(4-2)16(26)22-17-20-11-6-5-10(24(27)28)8-13(11)29-17/h3,5-6,8-9,12H,1,4,7,19H2,2H3,(H,20,22,26)