N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-nitro-benzamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3S/c25-21(15-7-11-17(12-8-15)24(26)27)22-16-9-5-14(6-10-16)13-20-23-18-3-1-2-4-19(18)28-20/h1-12H,13H2,(H,22,25)