N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-(2-nitroanilino)propanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-(2-nitroanilino)propionamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c26-20(11-12-22-15-5-1-3-7-17(15)25(27)28)23-13-14-9-10-18(29-14)21-24-16-6-2-4-8-19(16)30-21/h1-10,22H,11-13H2,(H,23,26)