N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-3-chloranyl-4-methoxy-benzamide

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-3-chloranyl-4-methoxy-benzamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-3-chloro-4-methoxy-benzamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-thiophen-2-ylethyl]-3-chloro-4-methoxybenzamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-chloro-4-methoxybenzamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-3-chloro-4-methoxy-benzamide Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)N3CCCCCC3)Cl

InChI

InChI=1S/C20H25ClN2O2S/c1-25-18-9-8-15(13-16(18)21)20(24)22-14-17(19-7-6-12-26-19)23-10-4-2-3-5-11-23/h6-9,12-13,17H,2-5,10-11,14H2,1H3,(H,22,24)/t17-/m0/s1