1-(azepan-1-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(azepan-1-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-(azepan-1-yl)-3-benzyl-thiourea CAS Name: 1-(1-azepanyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-(azepan-1-yl)-3-benzylthiourea Traditional Name: 1-(azepan-1-yl)-3-benzyl-thiourea Formula: C14H21N3S MolecularWeight: 263.40164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C14H21N3S/c18-14(15-12-13-8-4-3-5-9-13)16-17-10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-12H2,(H2,15,16,18)