N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-[4-(4-ethylbenzoyl)piperazino]phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C29H30N4O4S/c1-2-20-3-5-21(6-4-20)28(35)33-15-13-32(14-16-33)24-10-8-23(9-11-24)30-29(38)31-27(34)22-7-12-25-26(19-22)37-18-17-36-25/h3-12,19H,2,13-18H2,1H3,(H2,30,31,34,38)