N-[4-[3-(3-methylphenoxy)propylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[3-(3-methylphenoxy)propylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[3-(3-methylphenoxy)propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[3-(3-methylphenoxy)propylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[3-(3-methylphenoxy)propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[3-(3-methylphenoxy)propylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C20H21N5O2S2/c1-14-4-2-5-17(12-14)27-11-3-10-21-20(28)23-16-8-6-15(7-9-16)22-19(26)18-13-29-25-24-18/h2,4-9,12-13H,3,10-11H2,1H3,(H,22,26)(H2,21,23,28)