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

Systemtic Name: N-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(5-isobutyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(5-isobutyl-1,3,4-thiadiazol-2-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C14H15N5O3S2 MolecularWeight: 365.4306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3S2/c1-8(2)6-11-17-18-14(24-11)16-13(23)15-12(20)9-4-3-5-10(7-9)19(21)22/h3-5,7-8H,6H2,1-2H3,(H2,15,16,18,20,23)