N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide

Systemtic Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-benzyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c1-2-25-20-13-12-19(26(28)29)15-21(20)30-23(25)24-22(27)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3