N-[2-azanylidene-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[2-azanylidene-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[3-benzyl-5-(1-ethylpropoxy)-2-imino-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-imino-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-(3-benzyl-2-imino-5-pentan-3-yloxy-1,3-benzothiazol-6-yl)acetamide Traditional Name: N-[3-benzyl-5-(1-ethylpropoxy)-2-imino-1,3-benzothiazol-6-yl]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C2C(=C1)N(C(=N)S2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCC(CC)OC1=C(C=C2C(=C1)N(C(=N)S2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C21H25N3O2S/c1-4-16(5-2)26-19-12-18-20(11-17(19)23-14(3)25)27-21(22)24(18)13-15-9-7-6-8-10-15/h6-12,16,22H,4-5,13H2,1-3H3,(H,23,25)