N-[2-chloranyl-5-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[[[2-(dimethylaminomethyl)phenyl]methylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[[2-(dimethylaminomethyl)benzyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H22ClN3O2S/c1-26(2)14-17-7-4-3-6-16(17)13-24-21(27)15-9-10-18(23)19(12-15)25-22(28)20-8-5-11-29-20/h3-12H,13-14H2,1-2H3,(H,24,27)(H,25,28)