[3-azanyl-5-(tert-butylamino)-4-piperazin-1-ylcarbonyl-thiophen-2-yl]-(4-chlorophenyl)methanone

Systemtic Name: [3-azanyl-5-(tert-butylamino)-4-piperazin-1-ylcarbonyl-thiophen-2-yl]-(4-chlorophenyl)methanone Openeye Name: [3-amino-5-(tert-butylamino)-4-(piperazine-1-carbonyl)-2-thienyl]-(4-chlorophenyl)methanone CAS Name: [3-amino-5-(tert-butylamino)-4-[oxo(1-piperazinyl)methyl]-2-thiophenyl]-(4-chlorophenyl)methanone IUPAC Name: [3-amino-5-(tert-butylamino)-4-(piperazine-1-carbonyl)thiophen-2-yl]-(4-chlorophenyl)methanone Traditional Name: [3-amino-5-(tert-butylamino)-4-(piperazine-1-carbonyl)-2-thienyl]-(4-chlorophenyl)methanone Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)Cl)N)C(=O)N3CCNCC3

Isomeric SMILES

CC(C)(C)NC1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)Cl)N)C(=O)N3CCNCC3

InChI

InChI=1S/C20H25ClN4O2S/c1-20(2,3)24-18-14(19(27)25-10-8-23-9-11-25)15(22)17(28-18)16(26)12-4-6-13(21)7-5-12/h4-7,23-24H,8-11,22H2,1-3H3