N-[4-[(5-chloranyl-2-methoxy-4-methyl-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(5-chloranyl-2-methoxy-4-methyl-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(5-chloro-2-methoxy-4-methyl-phenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[(5-chloro-2-methoxy-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(5-chloro-2-methoxy-4-methylphenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(5-chloro-2-methoxy-4-methyl-phenyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C18H16ClN5O2S2 MolecularWeight: 433.93494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3)OC

InChI

InChI=1S/C18H16ClN5O2S2/c1-10-7-16(26-2)14(8-13(10)19)22-18(27)21-12-5-3-11(4-6-12)20-17(25)15-9-28-24-23-15/h3-9H,1-2H3,(H,20,25)(H2,21,22,27)