(phenylmethyl) N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: (phenylmethyl) N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate Openeye Name: benzyl N-[(E)-N'-benzyloxycarbonylcarbamimidoyl]-N-(6-methyl-1,3-benzothiazol-2-yl)carbamate CAS Name: N-[(E)-amino(phenylmethoxycarbonylimino)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[(E)-N'-carbobenzoxyamidino]-N-(6-methyl-1,3-benzothiazol-2-yl)carbamic acid benzyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(C(=NC(=O)OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(/C(=N/C(=O)OCC3=CC=CC=C3)/N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4S/c1-17-12-13-20-21(14-17)34-23(27-20)29(25(31)33-16-19-10-6-3-7-11-19)22(26)28-24(30)32-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3,(H2,26,28,30)