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

Systemtic Name: N-[4-[3-(3-phenylphenyl)propylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[3-(3-phenylphenyl)propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[3-(3-phenylphenyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[3-(3-phenylphenyl)propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[3-(3-phenylphenyl)propylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C25H23N5OS2 MolecularWeight: 473.61302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)CCCNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CSN=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)CCCNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CSN=N4

InChI

InChI=1S/C25H23N5OS2/c31-24(23-17-33-30-29-23)27-21-11-13-22(14-12-21)28-25(32)26-15-5-7-18-6-4-10-20(16-18)19-8-2-1-3-9-19/h1-4,6,8-14,16-17H,5,7,15H2,(H,27,31)(H2,26,28,32)