N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c25-20(13-7-10-15(22-14-8-9-14)17(12-13)24(26)27)21-11-3-6-19-23-16-4-1-2-5-18(16)28-19/h1-2,4-5,7,10,12,14,22H,3,6,8-9,11H2,(H,21,25)