N-[4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butyl]thiophene-3-carboxamide Openeye Name: N-[4-(4-benzyl-1,4-diazepan-1-yl)-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-oxo-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butyl]-3-thiophenecarboxamide IUPAC Name: N-[4-(4-benzyl-1,4-diazepan-1-yl)-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-(4-benzyl-1,4-diazepan-1-yl)-4-keto-butyl]thiophene-3-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCNC(=O)C2=CSC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCNC(=O)C2=CSC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c25-20(8-4-10-22-21(26)19-9-15-27-17-19)24-12-5-11-23(13-14-24)16-18-6-2-1-3-7-18/h1-3,6-7,9,15,17H,4-5,8,10-14,16H2,(H,22,26)