tert-butyl 2-[[4-(2-carbamimidoylthiophen-3-yl)phenyl]methylcarbamoyl]-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl 2-[[4-(2-carbamimidoylthiophen-3-yl)phenyl]methylcarbamoyl]-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl 2-[[4-(2-carbamimidoyl-3-thienyl)phenyl]methylcarbamoyl]thiazolidine-3-carboxylate CAS Name: 2-[[[4-(2-carbamimidoyl-3-thiophenyl)phenyl]methylamino]-oxomethyl]-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(2-carbamimidoylthiophen-3-yl)phenyl]methylcarbamoyl]-1,3-thiazolidine-3-carboxylate Traditional Name: 2-[[4-(2-amidino-3-thienyl)benzyl]carbamoyl]thiazolidine-3-carboxylic acid tert-butyl ester Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSC1C(=O)NCC2=CC=C(C=C2)C3=C(SC=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSC1C(=O)NCC2=CC=C(C=C2)C3=C(SC=C3)C(=N)N

InChI

InChI=1S/C21H26N4O3S2/c1-21(2,3)28-20(27)25-9-11-30-19(25)18(26)24-12-13-4-6-14(7-5-13)15-8-10-29-16(15)17(22)23/h4-8,10,19H,9,11-12H2,1-3H3,(H3,22,23)(H,24,26)