N-[(S)-dimethoxyphosphoryl-(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-benzamide

Systemtic Name: N-[(S)-dimethoxyphosphoryl-(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-benzamide Openeye Name: N-[(S)-(5-anilino-1,3,4-thiadiazol-2-yl)-dimethoxyphosphoryl-methyl]-4-methyl-benzamide CAS Name: N-[(S)-(5-anilino-1,3,4-thiadiazol-2-yl)-dimethoxyphosphorylmethyl]-4-methylbenzamide IUPAC Name: N-[(S)-(5-anilino-1,3,4-thiadiazol-2-yl)-dimethoxyphosphorylmethyl]-4-methylbenzamide Traditional Name: N-[(S)-(5-anilino-1,3,4-thiadiazol-2-yl)-dimethoxyphosphoryl-methyl]-4-methyl-benzamide Formula: C19H21N4O4PS MolecularWeight: 432.433201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C2=NN=C(S2)NC3=CC=CC=C3)P(=O)(OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C2=NN=C(S2)NC3=CC=CC=C3)P(=O)(OC)OC

InChI

InChI=1S/C19H21N4O4PS/c1-13-9-11-14(12-10-13)16(24)21-17(28(25,26-2)27-3)18-22-23-19(29-18)20-15-7-5-4-6-8-15/h4-12,17H,1-3H3,(H,20,23)(H,21,24)/t17-/m0/s1