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

Systemtic Name: 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[2-[(4-methoxyphenyl)carbamoylamino]thiazol-4-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[2-[[(4-methoxyanilino)-oxomethyl]amino]-4-thiazolyl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[2-[(4-methoxyphenyl)carbamoylamino]thiazol-4-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C21H18N6O5S2 MolecularWeight: 498.53482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=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/C21H18N6O5S2/c1-32-15-6-2-12(3-7-15)22-19(29)26-20-23-13(11-33-20)4-9-18(28)25-21-24-16-8-5-14(27(30)31)10-17(16)34-21/h2-3,5-8,10-11H,4,9H2,1H3,(H,24,25,28)(H2,22,23,26,29)