N-[3-(methylamino)-3-oxidanylidene-propyl]-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide

Systemtic Name: N-[3-(methylamino)-3-oxidanylidene-propyl]-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: N-[3-(methylamino)-3-oxo-propyl]-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: N-[3-(methylamino)-3-oxopropyl]-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylpropanamide IUPAC Name: N-[3-(methylamino)-3-oxopropyl]-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: N-[3-keto-3-(methylamino)propyl]-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C16H20N6O3S2 MolecularWeight: 408.4984

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CNC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C16H20N6O3S2/c1-17-12(23)7-8-18-13(24)11(9-10-5-3-2-4-6-10)19-14(25)20-15-21-22-16(26)27-15/h2-6,11H,7-9H2,1H3,(H,17,23)(H,18,24)(H,22,26)(H2,19,20,21,25)