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

Systemtic Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-(dipropylamino)ethanamide Openeye Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-phenyl]-2-(dipropylamino)acetamide CAS Name: N-[4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2-chlorophenyl]-2-(dipropylamino)acetamide IUPAC Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chlorophenyl]-2-(dipropylamino)acetamide Traditional Name: N-[4-[(4-acetamidophenyl)thiocarbamoylamino]-2-chloro-phenyl]-2-(dipropylamino)acetamide Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O2S/c1-4-12-29(13-5-2)15-22(31)28-21-11-10-19(14-20(21)24)27-23(32)26-18-8-6-17(7-9-18)25-16(3)30/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,25,30)(H,28,31)(H2,26,27,32)