N-[4-[[5-chloranyl-2-(dimethylamino)-4-methoxy-phenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-chloranyl-2-(dimethylamino)-4-methoxy-phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[5-chloro-2-(dimethylamino)-4-methoxy-phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[5-chloro-2-(dimethylamino)-4-methoxyanilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-chloro-2-(dimethylamino)-4-methoxyphenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[[5-chloro-2-(dimethylamino)-4-methoxy-phenyl]thiocarbamoylamino]phenyl]acetamide Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2N(C)C)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2N(C)C)OC)Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-11(24)20-12-5-7-13(8-6-12)21-18(26)22-15-9-14(19)17(25-4)10-16(15)23(2)3/h5-10H,1-4H3,(H,20,24)(H2,21,22,26)