N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroanilino)propionamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S/c27-21(13-14-23-17-9-3-5-11-19(17)26(28)29)24-16-8-2-1-7-15(16)22-25-18-10-4-6-12-20(18)30-22/h1-12,23H,13-14H2,(H,24,27)