1-(1,3-benzothiazol-2-ylmethyl)-3-(4-butylphenyl)-1-methyl-thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-butylphenyl)-1-methyl-thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-butylphenyl)-1-methyl-thiourea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-butylphenyl)-1-methylthiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-butylphenyl)-1-methylthiourea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-butylphenyl)-1-methyl-thiourea Formula: C20H23N3S2 MolecularWeight: 369.54672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3S2/c1-3-4-7-15-10-12-16(13-11-15)21-20(24)23(2)14-19-22-17-8-5-6-9-18(17)25-19/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,24)