N'-propan-2-yl-2-[[4-(N'-propan-2-ylcarbamimidoyl)phenyl]amino]-1,3-benzothiazole-6-carboximidamide

Systemtic Name: N'-propan-2-yl-2-[[4-(N'-propan-2-ylcarbamimidoyl)phenyl]amino]-1,3-benzothiazole-6-carboximidamide Openeye Name: N'-isopropyl-2-[4-(N'-isopropylcarbamimidoyl)anilino]-1,3-benzothiazole-6-carboxamidine CAS Name: 2-[4-[amino(propan-2-ylimino)methyl]anilino]-N'-propan-2-yl-1,3-benzothiazole-6-carboximidamide IUPAC Name: N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)anilino]-1,3-benzothiazole-6-carboximidamide Traditional Name: N'-isopropyl-2-[4-(N'-isopropylamidino)anilino]-1,3-benzothiazole-6-carboxamidine Formula: C21H26N6S MolecularWeight: 394.53634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC=C(C=C1)NC2=NC3=C(S2)C=C(C=C3)C(=NC(C)C)N)N

Isomeric SMILES

CC(C)N=C(C1=CC=C(C=C1)NC2=NC3=C(S2)C=C(C=C3)C(=NC(C)C)N)N

InChI

InChI=1S/C21H26N6S/c1-12(2)24-19(22)14-5-8-16(9-6-14)26-21-27-17-10-7-15(11-18(17)28-21)20(23)25-13(3)4/h5-13H,1-4H3,(H2,22,24)(H2,23,25)(H,26,27)