propan-2-yl 4-[4-[[6-chloranyl-2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]carbonyl]piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-[[6-chloranyl-2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]carbonyl]piperazin-1-yl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[4-[6-chloro-2-(ethylcarbamoylamino)benzothiophene-3-carbonyl]piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[6-chloro-2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]-oxomethyl]-1-piperazinyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-[6-chloro-2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]piperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[6-chloro-2-(ethylcarbamoylamino)benzothiophene-3-carbonyl]piperazino]piperidine-1-carboxylic acid isopropyl ester Formula: C25H34ClN5O4S MolecularWeight: 536.08656

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=C(S1)C=C(C=C2)Cl)C(=O)N3CCN(CC3)C4CCN(CC4)C(=O)OC(C)C

Isomeric SMILES

CCNC(=O)NC1=C(C2=C(S1)C=C(C=C2)Cl)C(=O)N3CCN(CC3)C4CCN(CC4)C(=O)OC(C)C

InChI

InChI=1S/C25H34ClN5O4S/c1-4-27-24(33)28-22-21(19-6-5-17(26)15-20(19)36-22)23(32)30-13-11-29(12-14-30)18-7-9-31(10-8-18)25(34)35-16(2)3/h5-6,15-16,18H,4,7-14H2,1-3H3,(H2,27,28,33)