N-[5-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide

Systemtic Name: N-[5-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C20H19N5O5S2 MolecularWeight: 473.52536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S2/c1-30-14-8-9-15(16(11-14)25(28)29)21-18(27)12-31-20-24-23-19(32-20)22-17(26)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10,12H2,1H3,(H,21,27)(H,22,23,26)