[2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23N3O4S2/c1-3-24(4-2)21(29)30-12-19(25)23-16-8-6-5-7-15(16)20(26)22-14-9-10-17-18(11-14)28-13-27-17/h5-11H,3-4,12-13H2,1-2H3,(H,22,26)(H,23,25)