N-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methyl-phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methyl-phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methyl-phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[2-[[4-(aminomethyl)anilino]-oxomethyl]-4-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methylphenyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methyl-phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)NC4=CC=C(C=C4)CN

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)NC4=CC=C(C=C4)CN

InChI

InChI=1S/C24H20ClN3O2S/c1-14-6-11-19(18(12-14)23(29)27-16-9-7-15(13-26)8-10-16)28-24(30)22-21(25)17-4-2-3-5-20(17)31-22/h2-12H,13,26H2,1H3,(H,27,29)(H,28,30)