N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(2-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(2-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(2-methoxyphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(2-methoxyanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(2-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-keto-1-[(2-methoxyphenyl)thiocarbamoyl]piperazin-2-yl]acetamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2CCNC(=O)C2CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2CCNC(=O)C2CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N4O5S/c1-29-17-5-3-2-4-15(17)25-22(32)26-9-8-23-21(28)16(26)13-20(27)24-14-6-7-18-19(12-14)31-11-10-30-18/h2-7,12,16H,8-11,13H2,1H3,(H,23,28)(H,24,27)(H,25,32)