3,5-dimethoxy-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-dimethoxy-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[[anilino(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide IUPAC Name: 3,5-dimethoxy-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-dimethoxy-N-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3)OC

InChI

InChI=1S/C18H17N5O3S2/c1-25-13-8-11(9-14(10-13)26-2)15(24)20-17-22-23-18(28-17)21-16(27)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,22,24)(H2,19,21,23,27)