N-(1,3-benzothiazol-2-ylmethyl)-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(cyclopropylamino)-3-nitro-benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c23-18(19-10-17-21-14-3-1-2-4-16(14)26-17)11-5-8-13(20-12-6-7-12)15(9-11)22(24)25/h1-5,8-9,12,20H,6-7,10H2,(H,19,23)