N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-4-chloro-3-nitro-benzamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O4S/c1-2-3-16(24)22-18-21-13-7-5-11(9-15(13)28-18)20-17(25)10-4-6-12(19)14(8-10)23(26)27/h4-9H,2-3H2,1H3,(H,20,25)(H,21,22,24)