1-[2-[(phenylmethyl)-piperidin-4-yl-amino]-1,3-benzothiazol-6-yl]thiourea

Systemtic Name: 1-[2-[(phenylmethyl)-piperidin-4-yl-amino]-1,3-benzothiazol-6-yl]thiourea Openeye Name: [2-[benzyl(4-piperidyl)amino]-1,3-benzothiazol-6-yl]thiourea CAS Name: [2-[(phenylmethyl)-(4-piperidinyl)amino]-1,3-benzothiazol-6-yl]thiourea IUPAC Name: [2-[benzyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]thiourea Traditional Name: [2-[benzyl(4-piperidyl)amino]-1,3-benzothiazol-6-yl]thiourea Formula: C20H23N5S2 MolecularWeight: 397.56012

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)NC(=S)N

Isomeric SMILES

C1CNCCC1N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)NC(=S)N

InChI

InChI=1S/C20H23N5S2/c21-19(26)23-15-6-7-17-18(12-15)27-20(24-17)25(16-8-10-22-11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,22H,8-11,13H2,(H3,21,23,26)