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

Systemtic Name: 3-methyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea Openeye Name: 3-methyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea CAS Name: 3-methyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea IUPAC Name: 3-methyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea Traditional Name: 3-methyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea Formula: C13H17N3S2 MolecularWeight: 279.42418

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(C1=CC=CC=C1)C2=NCCCCS2

Isomeric SMILES

CNC(=S)N(C1=CC=CC=C1)C2=NCCCCS2

InChI

InChI=1S/C13H17N3S2/c1-14-12(17)16(11-7-3-2-4-8-11)13-15-9-5-6-10-18-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,14,17)