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

Systemtic Name: N-[4-[3-(3-bromanylphenoxy)propylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[3-(3-bromophenoxy)propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[3-(3-bromophenoxy)propylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[3-(3-bromophenoxy)propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[3-(3-bromophenoxy)propylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C19H18BrN5O2S2 MolecularWeight: 492.41252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN5O2S2/c20-13-3-1-4-16(11-13)27-10-2-9-21-19(28)23-15-7-5-14(6-8-15)22-18(26)17-12-29-25-24-17/h1,3-8,11-12H,2,9-10H2,(H,22,26)(H2,21,23,28)