(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(4-o-phenetylpiperazino)methanone Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-2-29-17-6-4-3-5-16(17)23-9-11-24(12-10-23)21(26)20-19(22)15-8-7-14(25(27)28)13-18(15)30-20/h3-8,13H,2,9-12H2,1H3