4-nitro-N-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]benzamide Openeye Name: N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(5-benzyl-1,3,4-thiadiazol-2-yl)thiocarbamoyl]-4-nitro-benzamide Formula: C17H13N5O3S2 MolecularWeight: 399.44682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O3S2/c23-15(12-6-8-13(9-7-12)22(24)25)18-16(26)19-17-21-20-14(27-17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,21,23,26)