N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2-nitroanilino)propionamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3S/c28-22(13-14-24-18-5-1-3-7-20(18)27(29)30)25-17-11-9-16(10-12-17)15-23-26-19-6-2-4-8-21(19)31-23/h1-12,24H,13-15H2,(H,25,28)