N-[3-(1,3-benzothiazol-2-ylamino)propyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylamino)propyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylamino)propyl]-2-chloro-5-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-ylamino)propyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylamino)propyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylamino)propyl]-2-chloro-5-nitro-benzamide Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O3S/c18-13-7-6-11(22(24)25)10-12(13)16(23)19-8-3-9-20-17-21-14-4-1-2-5-15(14)26-17/h1-2,4-7,10H,3,8-9H2,(H,19,23)(H,20,21)