thiophen-2-yl N'-[2-(2-pyrrolidin-1-ylethylamino)-1,3-benzothiazol-6-yl]carbamimidate

Systemtic Name: thiophen-2-yl N'-[2-(2-pyrrolidin-1-ylethylamino)-1,3-benzothiazol-6-yl]carbamimidate Openeye Name: 3-[2-(2-pyrrolidin-1-ylethylamino)-1,3-benzothiazol-6-yl]-2-(2-thienyl)isourea CAS Name: N'-[2-[2-(1-pyrrolidinyl)ethylamino]-1,3-benzothiazol-6-yl]carbamimidic acid thiophen-2-yl ester IUPAC Name: thiophen-2-yl N'-[2-(2-pyrrolidin-1-ylethylamino)-1,3-benzothiazol-6-yl]carbamimidate Traditional Name: 3-[2-(2-pyrrolidinoethylamino)-1,3-benzothiazol-6-yl]-2-(2-thienyl)isourea Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=NC3=C(S2)C=C(C=C3)N=C(N)OC4=CC=CS4

Isomeric SMILES

C1CCN(C1)CCNC2=NC3=C(S2)C=C(C=C3)N=C(N)OC4=CC=CS4

InChI

InChI=1S/C18H21N5OS2/c19-17(24-16-4-3-11-25-16)21-13-5-6-14-15(12-13)26-18(22-14)20-7-10-23-8-1-2-9-23/h3-6,11-12H,1-2,7-10H2,(H2,19,21)(H,20,22)