(3-chloranyl-1-benzothiophen-2-yl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-[3-(ethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazino]methanone Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O3S/c1-2-23-16-13-14(7-8-17(16)26(28)29)24-9-11-25(12-10-24)21(27)20-19(22)15-5-3-4-6-18(15)30-20/h3-8,13,23H,2,9-12H2,1H3