1-[3-(4-nitrophenyl)propanoyl-phenethyl-amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea

Systemtic Name: 1-[3-(4-nitrophenyl)propanoyl-phenethyl-amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[3-(4-nitrophenyl)propanoyl-phenethyl-amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[[3-(4-nitrophenyl)-1-oxopropyl]-phenethylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[3-(4-nitrophenyl)propanoyl-phenethylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[3-(4-nitrophenyl)propanoyl-phenethyl-amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C20H20N6O4S2 MolecularWeight: 472.5406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C20H20N6O4S2/c27-17(11-8-15-6-9-16(10-7-15)26(29)30)25(13-12-14-4-2-1-3-5-14)24-18(28)21-19-22-23-20(31)32-19/h1-7,9-10H,8,11-13H2,(H,23,31)(H2,21,22,24,28)