ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)-4-phenyldiazenyl-phenyl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)-4-phenyldiazenyl-phenyl]carbamothioyl]carbamate Openeye Name: ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)-4-phenylazo-phenyl]carbamothioyl]carbamate CAS Name: N-[[3-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-4-phenyldiazenylanilino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)-4-phenyldiazenylphenyl]carbamothioyl]carbamate Traditional Name: N-[[3-(carbethoxythiocarbamoylamino)-4-phenylazo-phenyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=CC(=C(C=C1)N=NC2=CC=CC=C2)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=CC(=C(C=C1)N=NC2=CC=CC=C2)NC(=S)NC(=O)OCC

InChI

InChI=1S/C20H22N6O4S2/c1-3-29-19(27)23-17(31)21-14-10-11-15(26-25-13-8-6-5-7-9-13)16(12-14)22-18(32)24-20(28)30-4-2/h5-12H,3-4H2,1-2H3,(H2,21,23,27,31)(H2,22,24,28,32)