N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(4-nitroanilino)butanamide CAS Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(4-nitroanilino)butanamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(4-nitroanilino)butyramide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCNC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCNC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c25-18(6-3-11-20-14-7-9-15(10-8-14)24(26)27)21-12-13-22-19-23-16-4-1-2-5-17(16)28-19/h1-2,4-5,7-10,20H,3,6,11-13H2,(H,21,25)(H,22,23)