tert-butyl N-[[5-[[azanyl(thiophen-2-yl)methylidene]amino]-2-piperazin-1-yl-phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[5-[[azanyl(thiophen-2-yl)methylidene]amino]-2-piperazin-1-yl-phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[5-[[amino(2-thienyl)methylene]amino]-2-piperazin-1-yl-phenyl]methyl]carbamate CAS Name: N-[[5-[[amino(thiophen-2-yl)methylidene]amino]-2-(1-piperazinyl)phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[5-[[amino(thiophen-2-yl)methylidene]amino]-2-piperazin-1-ylphenyl]methyl]carbamate Traditional Name: N-[5-[[amino(2-thienyl)methylene]amino]-2-piperazino-benzyl]carbamic acid tert-butyl ester Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)N=C(C2=CC=CS2)N)N3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)N=C(C2=CC=CS2)N)N3CCNCC3

InChI

InChI=1S/C21H29N5O2S/c1-21(2,3)28-20(27)24-14-15-13-16(25-19(22)18-5-4-12-29-18)6-7-17(15)26-10-8-23-9-11-26/h4-7,12-13,23H,8-11,14H2,1-3H3,(H2,22,25)(H,24,27)