1-butyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

Systemtic Name: 1-butyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-butyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-butyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-butyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-butyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C19H21N3S2 MolecularWeight: 355.52014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C19H21N3S2/c1-3-4-11-20-19(23)21-15-8-6-14(7-9-15)18-22-16-10-5-13(2)12-17(16)24-18/h5-10,12H,3-4,11H2,1-2H3,(H2,20,21,23)