1-(2-methyl-1,3-benzothiazol-6-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea CAS Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea Traditional Name: 1-benzyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea Formula: C16H15N3S2 MolecularWeight: 313.4404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3S2/c1-11-18-14-8-7-13(9-15(14)21-11)19-16(20)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19,20)