N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-butyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-butyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-butyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1,3-benzothiazol-2-ylmethylthio)-N-butylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-butylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylmethylthio)-N-butyl-acetamide Formula: C22H29N5O3S2 MolecularWeight: 475.62736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSCC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSCC2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C22H29N5O3S2/c1-3-5-11-26(19-20(23)27(12-6-4-2)22(30)25-21(19)29)18(28)14-31-13-17-24-15-9-7-8-10-16(15)32-17/h7-10H,3-6,11-14,23H2,1-2H3,(H,25,29,30)