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

Systemtic Name: 3,5-dimethyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-dimethyl-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-dimethylbenzamide IUPAC Name: 3,5-dimethyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-dimethyl-N-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C18H17N5OS2/c1-11-8-12(2)10-13(9-11)15(24)20-17-22-23-18(26-17)21-16(25)19-14-6-4-3-5-7-14/h3-10H,1-2H3,(H,20,22,24)(H2,19,21,23,25)