[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H25N3O3S/c1-28(17-19-8-4-2-5-9-19)25(27-20-10-6-3-7-11-20)32-18-24(29)26-21-12-13-22-23(16-21)31-15-14-30-22/h2-13,16H,14-15,17-18H2,1H3,(H,26,29)