1-(phenylmethyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thiourea

Systemtic Name: 1-(phenylmethyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thiourea Openeye Name: 1-benzyl-3-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thiourea CAS Name: 1-(phenylmethyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thiourea IUPAC Name: 1-benzyl-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thiourea Traditional Name: 1-benzyl-3-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thiourea Formula: C18H18N4S2 MolecularWeight: 354.49232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=CN=C3S2)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C18H18N4S2/c23-18(19-10-12-6-2-1-3-7-12)22-16-15-13-8-4-5-9-14(13)24-17(15)21-11-20-16/h1-3,6-7,11H,4-5,8-10H2,(H2,19,20,21,22,23)