1-[2-(5-iodanylthiophen-2-yl)ethyl]-3-(4-methyl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[2-(5-iodanylthiophen-2-yl)ethyl]-3-(4-methyl-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[2-(5-iodo-2-thienyl)ethyl]-3-(4-methyl-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[2-(5-iodo-2-thiophenyl)ethyl]-3-(4-methyl-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[2-(5-iodothiophen-2-yl)ethyl]-3-(4-methyl-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[2-(5-iodo-2-thienyl)ethyl]-3-(4-methyl-1,3-benzothiazol-2-yl)thiourea Formula: C15H14IN3S3 MolecularWeight: 459.39123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=S)NCCC3=CC=C(S3)I

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=S)NCCC3=CC=C(S3)I

InChI

InChI=1S/C15H14IN3S3/c1-9-3-2-4-11-13(9)18-15(22-11)19-14(20)17-8-7-10-5-6-12(16)21-10/h2-6H,7-8H2,1H3,(H2,17,18,19,20)