N-[(4-nitrophenyl)carbamoyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-nitrophenyl)carbamoyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: N-[(4-nitrophenyl)carbamoyl]-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide CAS Name: N-[(4-nitroanilino)-oxomethyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]propanamide IUPAC Name: N-[(4-nitrophenyl)carbamoyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Traditional Name: N-[(4-nitrophenyl)carbamoyl]-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propionamide Formula: C18H15N5O4S3 MolecularWeight: 461.5378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O4S3/c1-11(29-17-21-22(18(28)30-17)13-5-3-2-4-6-13)15(24)20-16(25)19-12-7-9-14(10-8-12)23(26)27/h2-11H,1H3,(H2,19,20,24,25)