1-phenyl-3-(phenylmethyl)-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea

Systemtic Name: 1-phenyl-3-(phenylmethyl)-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea Openeye Name: 3-benzyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea CAS Name: 1-phenyl-3-(phenylmethyl)-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea IUPAC Name: 3-benzyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea Traditional Name: 3-benzyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea Formula: C19H21N3S2 MolecularWeight: 355.52014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(=NC1)N(C2=CC=CC=C2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CCSC(=NC1)N(C2=CC=CC=C2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3S2/c23-18(21-15-16-9-3-1-4-10-16)22(17-11-5-2-6-12-17)19-20-13-7-8-14-24-19/h1-6,9-12H,7-8,13-15H2,(H,21,23)