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

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-methylbutyl)thiourea Openeye Name: 1-isopentyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-methylbutyl)thiourea Traditional Name: 1-isoamyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C20H23N3S2 MolecularWeight: 369.54672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCCC(C)C

InChI

InChI=1S/C20H23N3S2/c1-13(2)10-11-21-20(24)22-16-7-5-15(6-8-16)19-23-17-9-4-14(3)12-18(17)25-19/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,24)