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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(4-sec-butylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(4-sec-butylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Formula: C18H23N3S2 MolecularWeight: 345.52532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)CCCC3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)CCCC3

InChI

InChI=1S/C18H23N3S2/c1-3-12(2)13-8-10-14(11-9-13)19-17(22)21-18-20-15-6-4-5-7-16(15)23-18/h8-12H,3-7H2,1-2H3,(H2,19,20,21,22)