N-[4-[[3-chloranyl-4-[3-(dimethylamino)propyl-methyl-amino]phenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-chloranyl-4-[3-(dimethylamino)propyl-methyl-amino]phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[3-chloro-4-[3-(dimethylamino)propyl-methyl-amino]phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-4-[3-(dimethylamino)propyl-methylamino]anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[3-chloro-4-[3-(dimethylamino)propyl-methylamino]phenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[[3-chloro-4-[3-(dimethylamino)propyl-methyl-amino]phenyl]thiocarbamoylamino]phenyl]acetamide Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN5OS/c1-15(28)23-16-6-8-17(9-7-16)24-21(29)25-18-10-11-20(19(22)14-18)27(4)13-5-12-26(2)3/h6-11,14H,5,12-13H2,1-4H3,(H,23,28)(H2,24,25,29)