N-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)thiazol-4-yl]propanamide CAS Name: 3-[2-[[anilino(oxo)methyl]amino]-4-thiazolyl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)thiazol-4-yl]propionamide Formula: C20H16N6O4S2 MolecularWeight: 468.50884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O4S2/c27-17(24-20-23-15-8-7-14(26(29)30)10-16(15)32-20)9-6-13-11-31-19(22-13)25-18(28)21-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,23,24,27)(H2,21,22,25,28)