N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-(2-dimethylaminoethylsulfanyl)ethanamide

Systemtic Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-(2-dimethylaminoethylsulfanyl)ethanamide Openeye Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-phenyl]-2-(2-dimethylaminoethylsulfanyl)acetamide CAS Name: N-[4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2-chlorophenyl]-2-(2-dimethylaminoethylthio)acetamide IUPAC Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chlorophenyl]-2-(2-dimethylaminoethylsulfanyl)acetamide Traditional Name: N-[4-[(4-acetamidophenyl)thiocarbamoylamino]-2-chloro-phenyl]-2-(2-dimethylaminoethylthio)acetamide Formula: C21H26ClN5O2S2 MolecularWeight: 480.04644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC(=O)CSCCN(C)C)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC(=O)CSCCN(C)C)Cl

InChI

InChI=1S/C21H26ClN5O2S2/c1-14(28)23-15-4-6-16(7-5-15)24-21(30)25-17-8-9-19(18(22)12-17)26-20(29)13-31-11-10-27(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,23,28)(H,26,29)(H2,24,25,30)