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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=CC(=C(C=C3)C(=O)NCC4=CC=C(C=C4)CN)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=CC(=C(C=C3)C(=O)NCC4=CC=C(C=C4)CN)Cl

InChI

InChI=1S/C24H20ClN3O2S/c25-20-12-18(28-24(30)22-11-17-3-1-2-4-21(17)31-22)9-10-19(20)23(29)27-14-16-7-5-15(13-26)6-8-16/h1-12H,13-14,26H2,(H,27,29)(H,28,30)