methyl N-[3-[[6-chloranyl-5-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]sulfanyl]-3-methyl-cyclopentyl]carbamate

Systemtic Name: methyl N-[3-[[6-chloranyl-5-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]sulfanyl]-3-methyl-cyclopentyl]carbamate Openeye Name: methyl N-[3-[[6-chloro-5-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]sulfanyl]-3-methyl-cyclopentyl]carbamate CAS Name: N-[3-[[6-chloro-5-(4-ethyl-1-piperazinyl)-1H-benzimidazol-2-yl]thio]-3-methylcyclopentyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[6-chloro-5-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]sulfanyl]-3-methylcyclopentyl]carbamate Traditional Name: N-[3-[[6-chloro-5-(4-ethylpiperazino)-1H-benzimidazol-2-yl]thio]-3-methyl-cyclopentyl]carbamic acid methyl ester Formula: C21H30ClN5O2S MolecularWeight: 452.0132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SC4(CCC(C4)NC(=O)OC)C)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SC4(CCC(C4)NC(=O)OC)C)Cl

InChI

InChI=1S/C21H30ClN5O2S/c1-4-26-7-9-27(10-8-26)18-12-17-16(11-15(18)22)24-19(25-17)30-21(2)6-5-14(13-21)23-20(28)29-3/h11-12,14H,4-10,13H2,1-3H3,(H,23,28)(H,24,25)