N-[2-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3)CC4=CC=CS4

InChI

InChI=1S/C22H23N3O2S2/c26-21(20-9-4-15-29-20)23-19-8-2-1-7-18(19)22(27)25-11-5-10-24(12-13-25)16-17-6-3-14-28-17/h1-4,6-9,14-15H,5,10-13,16H2,(H,23,26)