N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylpropanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: 3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]-N-veratryl-propionamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3)OC

InChI

InChI=1S/C21H23N5O4S2/c1-29-16-9-8-14(11-17(16)30-2)12-22-18(27)15(10-13-6-4-3-5-7-13)23-19(28)24-20-25-26-21(31)32-20/h3-9,11,15H,10,12H2,1-2H3,(H,22,27)(H,26,31)(H2,23,24,25,28)