N-[4-[2-(4-nitrophenyl)ethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[2-(4-nitrophenyl)ethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[2-(4-nitrophenyl)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[2-(4-nitrophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[2-(4-nitrophenyl)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[2-(4-nitrophenyl)ethylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C18H16N6O3S2 MolecularWeight: 428.48804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O3S2/c25-17(16-11-29-23-22-16)20-13-3-5-14(6-4-13)21-18(28)19-10-9-12-1-7-15(8-2-12)24(26)27/h1-8,11H,9-10H2,(H,20,25)(H2,19,21,28)