1-(4-butan-2-ylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(4-sec-butylphenyl)thiourea Formula: C19H25N3S2 MolecularWeight: 359.5519

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)CC(CC3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)CC(CC3)C

InChI

InChI=1S/C19H25N3S2/c1-4-13(3)14-6-8-15(9-7-14)20-18(23)22-19-21-16-10-5-12(2)11-17(16)24-19/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,20,21,22,23)